2-chloro-6-oxo-1H-pyridine-3-carboxamide

C6H5ClN2O2 — CID 133063849

IUPAC2-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C6H5ClN2O2/c7-5-3(6(8)11)1-2-4(10)9-5/h1-2H,(H2,8,11)(H,9,10)
InChIKeyHNDXORHNVKTSSK-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.13
Rot. Bonds1

About 2-chloro-6-oxo-1H-pyridine-3-carboxamide

2-chloro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 133063849) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 2-chloro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID133063849
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name2-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C6H5ClN2O2/c7-5-3(6(8)11)1-2-4(10)9-5/h1-2H,(H2,8,11)(H,9,10)
InChIKeyHNDXORHNVKTSSK-UHFFFAOYSA-N
XLogP0.13
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-oxo-1H-pyridine-3-carboxamide (CID 133063849) is 2-chloro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1ccc(=O)[nH]c1Cl.
What is the InChIKey of 2-chloro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HNDXORHNVKTSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-5-3(6(8)11)1-2-4(10)9-5/h1-2H,(H2,8,11)(H,9,10).
What are the key properties of 2-chloro-6-oxo-1H-pyridine-3-carboxamide?
2-chloro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 172.57 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 133063849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).